{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.034718 3.53714 2.04977 ] [ 2.090115 3.249613 4.258758 ] [ 4.260617 1.92046 3.281861 ] [ 5.152468 4.155846 3.194292 ] [ 3.505339 5.178097 3.977293 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.034718e-10 3.53714e-10 2.04977e-10 ] [ 2.090115e-10 3.249613e-10 4.258758e-10 ] [ 4.260617e-10 1.92046e-10 3.281861e-10 ] [ 5.152468e-10 4.155846e-10 3.194292e-10 ] [ 3.505339e-10 5.178097e-10 3.977293e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3186207 1.1830592 -4.6568839 ] [ -2.2619978 -1.7677959 2.0689932 ] [ 0.8535568 -4.0633915 1.5172585 ] [ 14.5835882 -5.0984148 -5.2148458 ] [ -10.8565265 9.746543 6.285478 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.71483987804293e-09 1.895469791262351e-09 -7.461150510359926e-09 ] [ -3.624119991461034e-09 -2.832321261326095e-09 3.314892533634179e-09 ] [ 1.367548749484862e-09 -6.510270862457443e-09 2.430916096410077e-09 ] [ 2.336548406141476e-08 -8.168560995700708e-09 -8.355104021837073e-09 ] [ -1.739407294139565e-08 1.56156833282219e-08 1.007044590215274e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1194173 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.300874057257906e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0880571 3.7047489 2.0577901 ] [ 2.0571623 3.0672658 4.3137388 ] [ 4.1731737 1.7902563 3.3676417 ] [ 5.4204352 4.100936 3.0383439 ] [ 3.3044286 5.3779491 3.9844596 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0880571e-10 3.7047489e-10 2.0577901e-10 ] [ 2.0571623e-10 3.0672658e-10 4.3137388e-10 ] [ 4.1731737e-10 1.7902563e-10 3.3676417e-10 ] [ 5.4204352e-10 4.100936e-10 3.0383439e-10 ] [ 3.3044286e-10 5.3779491e-10 3.984459600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.1e-06 -2.7e-06 3.2e-06 ] [ 1.04e-05 -2.3e-06 5e-07 ] [ -1.13e-05 -3.6e-06 -3.4e-06 ] [ -1.59e-05 1.24e-05 8.5e-06 ] [ 1.07e-05 -3.9e-06 -8.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.77327738688e-15 -4.32587687616e-15 5.126965186560001e-15 ] [ 1.666263685632e-14 -3.68500622784e-15 8.010883104e-16 ] [ -1.810459581504e-14 -5.76783583488e-15 -5.44740051072e-15 ] [ -2.547460827072e-14 1.986699009792e-14 1.36185012768e-14 ] [ 1.714328984256e-14 -6.24848882112e-15 -1.409915426304e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.312806 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.812511328884596e-18 } }